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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50005165'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neutrophil elastase


(Homo sapiens (Human))
BDBM50005165
PNG
(CHEMBL345792 | [1-(Indan-2-yl-{[2-methyl-1-(4-trif...)
Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N(CC(=O)N[C@@H](C(C)C)C(=O)c1ccc(cc1)C(F)(F)F)C1Cc2ccccc2C1
Show InChI InChI=1S/C36H40F3N3O5/c1-22(2)31(33(44)25-14-16-28(17-15-25)36(37,38)39)40-30(43)20-42(29-18-26-12-8-9-13-27(26)19-29)34(45)32(23(3)4)41-35(46)47-21-24-10-6-5-7-11-24/h5-17,22-23,29,31-32H,18-21H2,1-4H3,(H,40,43)(H,41,46)/t31-,32?/m0/s1
PDB
MMDB

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Similars

PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase


J Med Chem 35: 641-62 (1992)


BindingDB Entry DOI: 10.7270/Q2K074X9
More data for this
Ligand-Target Pair